CID 496381

Nsc687950

Structural Information

Molecular Formula
C21H28O6
SMILES
CCCC1=CC(=O)OC2=C3C(C(C(OC3=CC(=C12)OC(C)COC)C)C)O
InChI
InChI=1S/C21H28O6/c1-6-7-14-8-17(22)27-21-18(14)15(25-11(2)10-24-5)9-16-19(21)20(23)12(3)13(4)26-16/h8-9,11-13,20,23H,6-7,10H2,1-5H3
InChIKey
KODLQGVSZMWEAR-UHFFFAOYSA-N
Compound name
10-hydroxy-5-(1-methoxypropan-2-yloxy)-8,9-dimethyl-4-propyl-9,10-dihydro-8H-pyrano[2,3-h]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1886 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19588 190.5
[M+Na]+ 399.17782 198.7
[M-H]- 375.18132 196.0
[M+NH4]+ 394.22242 202.1
[M+K]+ 415.15176 198.2
[M+H-H2O]+ 359.18586 182.8
[M+HCOO]- 421.18680 204.2
[M+CH3COO]- 435.20245 222.9
[M+Na-2H]- 397.16327 191.9
[M]+ 376.18805 198.7
[M]- 376.18915 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.